ChemSpider 2D Image | 1H-Benzimidazol-2-yl(2-pyridinylmethyl)sulfoniumolate | C13H11N3OS

1H-Benzimidazol-2-yl(2-pyridinylmethyl)sulfoniumolate

  • Molecular FormulaC13H11N3OS
  • Average mass257.311 Da
  • Monoisotopic mass257.062286 Da
  • ChemSpider ID34988340

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1H-Benzimidazol-2-yl(2-pyridinylmethyl)sulfoniumolat [German] [ACD/IUPAC Name]
1H-Benzimidazol-2-yl(2-pyridinylmethyl)sulfoniumolate [ACD/IUPAC Name]
1H-Benzimidazol-2-yl(2-pyridinylméthyl)sulfoniumolate [French] [ACD/IUPAC Name]
Sulfonium, 1H-benzimidazol-2-ylhydroxy(2-pyridinylmethyl)-, inner salt [ACD/Index Name]
57237-97-5 [RN]
timoprazole [INN]
UNII-95H6S1X9CC

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.752
Molar Refractivity: 72.0±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 65 Å2
Polarizability: 28.6±0.5 10-24cm3
Surface Tension: 92.8±5.0 dyne/cm
Molar Volume: 176.5±5.0 cm3

Click to predict properties on the Chemicalize site


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